1-N-[(5-bromo-2-methoxyphenyl)methyl]tetrazole-1,5-diamine

C9H11BrN6O — CID 833793

IUPAC1-N-[(5-bromo-2-methoxyphenyl)methyl]tetrazole-1,5-diamine
SMILESCOc1ccc(Br)cc1CNn1nnnc1N
InChIInChI=1S/C9H11BrN6O/c1-17-8-3-2-7(10)4-6(8)5-12-16-9(11)13-14-15-16/h2-4,12H,5H2,1H3,(H2,11,13,15)
InChIKeyWEANQFIJUITAPD-UHFFFAOYSA-N
MW299.13 g/mol
LogP0.77
Rot. Bonds4

About 1-N-[(5-bromo-2-methoxyphenyl)methyl]tetrazole-1,5-diamine

1-N-[(5-bromo-2-methoxyphenyl)methyl]tetrazole-1,5-diamine (PubChem CID 833793) has the molecular formula C9H11BrN6O and a molecular weight of 299.13 g/mol. Its IUPAC name is 1-N-[(5-bromo-2-methoxyphenyl)methyl]tetrazole-1,5-diamine.

Molecular Properties

Compound Name1-N-[(5-bromo-2-methoxyphenyl)methyl]tetrazole-1,5-diamine
PubChem CID833793
Molecular FormulaC9H11BrN6O
Molecular Weight299.13 g/mol
Exact Mass298.02
IUPAC Name1-N-[(5-bromo-2-methoxyphenyl)methyl]tetrazole-1,5-diamine
SMILESCOc1ccc(Br)cc1CNn1nnnc1N
InChIInChI=1S/C9H11BrN6O/c1-17-8-3-2-7(10)4-6(8)5-12-16-9(11)13-14-15-16/h2-4,12H,5H2,1H3,(H2,11,13,15)
InChIKeyWEANQFIJUITAPD-UHFFFAOYSA-N
XLogP0.77
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(5-bromo-2-methoxybenzyl)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
CID 2027065
4-[(5-bromo-2-methoxybenzyl)amino]-4H-1,2,4-triazole-3-thiol
CID 2235515
1-N-[(2-ethoxyphenyl)methyl]tetrazole-1,5-diamine
CID 833834
N-[(5-bromo-2-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 3158529
1-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6858628
N~1~-[2-(allyloxy)benzyl]-1H-tetrazole-1,5-diamine
CID 2214282
N-(3,5-dibromo-2-methoxybenzyl)-2-ethyl-2H-tetrazol-5-amine
CID 39860663
N-(3,5-dibromo-2-methoxybenzyl)-2-propyl-2H-tetrazol-5-amine
CID 39860706
N-(5-bromo-2-ethoxybenzyl)-2H-tetrazol-5-amine
CID 834327
N~1~-{5-bromo-2-[(2-chlorobenzyl)oxy]benzyl}-1H-tetrazole-1,5-diamine
CID 4727273
N-{5-bromo-2-[(2-fluorobenzyl)oxy]benzyl}-1H-tetrazol-5-amine
CID 4727661
5-(5-bromo-3-fluoro-2-methoxyphenyl)-2H-tetrazole
CID 176145050

Frequently Asked Questions

What is the IUPAC name of 1-N-[(5-bromo-2-methoxyphenyl)methyl]tetrazole-1,5-diamine?
The IUPAC name of 1-N-[(5-bromo-2-methoxyphenyl)methyl]tetrazole-1,5-diamine (CID 833793) is 1-N-[(5-bromo-2-methoxyphenyl)methyl]tetrazole-1,5-diamine.
What is the SMILES notation for 1-N-[(5-bromo-2-methoxyphenyl)methyl]tetrazole-1,5-diamine?
The canonical SMILES for 1-N-[(5-bromo-2-methoxyphenyl)methyl]tetrazole-1,5-diamine is COc1ccc(Br)cc1CNn1nnnc1N.
What is the InChIKey of 1-N-[(5-bromo-2-methoxyphenyl)methyl]tetrazole-1,5-diamine?
The InChIKey is WEANQFIJUITAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN6O/c1-17-8-3-2-7(10)4-6(8)5-12-16-9(11)13-14-15-16/h2-4,12H,5H2,1H3,(H2,11,13,15).
What are the key properties of 1-N-[(5-bromo-2-methoxyphenyl)methyl]tetrazole-1,5-diamine?
1-N-[(5-bromo-2-methoxyphenyl)methyl]tetrazole-1,5-diamine has a molecular weight of 299.13 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(5-bromo-2-methoxyphenyl)methyl]tetrazole-1,5-diamine is sourced from PubChem (CID 833793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).